Geometry & MOs

Info

ID:	131804
PubChem CID:	51263114
Reduced:	S2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-68.37
Dipole, Da:	3.06
IP(EA), eV:	-8.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)NC(=O)CSC

DOS

IR

Vibrations